methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate

C23H23ClN2O5 — CID 91650334

IUPACmethyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate
SMILESCOC(=O)CC(C)(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1cccc(OC)c1
InChIInChI=1S/C23H23ClN2O5/c1-23(13-21(28)30-3,16-5-4-6-19(11-16)29-2)26-20(27)12-18-14-31-22(25-18)15-7-9-17(24)10-8-15/h4-11,14H,12-13H2,1-3H3,(H,26,27)
InChIKeyWMCKQFWJSKNKDD-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.14
Rot. Bonds8

About methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate

methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate (PubChem CID 91650334) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate
PubChem CID91650334
Molecular FormulaC23H23ClN2O5
Molecular Weight442.90 g/mol
Exact Mass442.13
IUPAC Namemethyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate
SMILESCOC(=O)CC(C)(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1cccc(OC)c1
InChIInChI=1S/C23H23ClN2O5/c1-23(13-21(28)30-3,16-5-4-6-19(11-16)29-2)26-20(27)12-18-14-31-22(25-18)15-7-9-17(24)10-8-15/h4-11,14H,12-13H2,1-3H3,(H,26,27)
InChIKeyWMCKQFWJSKNKDD-UHFFFAOYSA-N
XLogP4.14
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 78850949
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
methyl 3-(3-methoxyphenyl)-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]butanoate
CID 102562505
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 38640368
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
tert-butyl N-[1-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylbutan-2-yl]carbamate
CID 86956636
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546102
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
CID 22352547

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate?
The IUPAC name of methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate (CID 91650334) is methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate.
What is the SMILES notation for methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate?
The canonical SMILES for methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate is COC(=O)CC(C)(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1cccc(OC)c1.
What is the InChIKey of methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate?
The InChIKey is WMCKQFWJSKNKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5/c1-23(13-21(28)30-3,16-5-4-6-19(11-16)29-2)26-20(27)12-18-14-31-22(25-18)15-7-9-17(24)10-8-15/h4-11,14H,12-13H2,1-3H3,(H,26,27).
What are the key properties of methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate?
methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate has a molecular weight of 442.90 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-(3-methoxyphenyl)butanoate is sourced from PubChem (CID 91650334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).